! Pwscf input file created with ciftopw.py 
! Compound: LiNbO3
&control
         calculation     = 'bands'
         prefix          = 'LiNbO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.1843952927164523
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5455861393112524
         celldm(5)       =            0.5455861393112524
         celldm(6)       =            0.5455861393112525
         nat             =       10
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
273
      0.00000000       0.00000000       0.00000000 1.0 
      0.01315789       0.00000000       0.00000000 1.0 
      0.02631579       0.00000000       0.00000000 1.0 
      0.03947368       0.00000000       0.00000000 1.0 
      0.05263158       0.00000000       0.00000000 1.0 
      0.06578947       0.00000000       0.00000000 1.0 
      0.07894737       0.00000000       0.00000000 1.0 
      0.09210526       0.00000000       0.00000000 1.0 
      0.10526316       0.00000000       0.00000000 1.0 
      0.11842105       0.00000000       0.00000000 1.0 
      0.13157895       0.00000000       0.00000000 1.0 
      0.14473684       0.00000000       0.00000000 1.0 
      0.15789474       0.00000000       0.00000000 1.0 
      0.17105263       0.00000000       0.00000000 1.0 
      0.18421053       0.00000000       0.00000000 1.0 
      0.19736842       0.00000000       0.00000000 1.0 
      0.21052632       0.00000000       0.00000000 1.0 
      0.22368421       0.00000000      -0.00000000 1.0 
      0.23684211       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26315789       0.00000000       0.00000000 1.0 
      0.27631579       0.00000000      -0.00000000 1.0 
      0.28947368       0.00000000       0.00000000 1.0 
      0.30263158       0.00000000       0.00000000 1.0 
      0.31578947       0.00000000       0.00000000 1.0 
      0.32894737       0.00000000       0.00000000 1.0 
      0.34210526       0.00000000       0.00000000 1.0 
      0.35526316       0.00000000       0.00000000 1.0 
      0.36842105       0.00000000       0.00000000 1.0 
      0.38157895       0.00000000       0.00000000 1.0 
      0.39473684       0.00000000       0.00000000 1.0 
      0.40789474       0.00000000       0.00000000 1.0 
      0.42105263       0.00000000       0.00000000 1.0 
      0.43421053       0.00000000       0.00000000 1.0 
      0.44736842       0.00000000      -0.00000000 1.0 
      0.46052632      -0.00000000       0.00000000 1.0 
      0.47368421       0.00000000       0.00000000 1.0 
      0.48684211       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00797001      -0.00797001 1.0 
      0.50000000       0.01594002      -0.01594002 1.0 
      0.50000000       0.02391003      -0.02391003 1.0 
      0.50000000       0.03188005      -0.03188005 1.0 
      0.50000000       0.03985006      -0.03985006 1.0 
      0.50000000       0.04782007      -0.04782007 1.0 
      0.50000000       0.05579008      -0.05579008 1.0 
      0.50000000       0.06376009      -0.06376009 1.0 
      0.50000000       0.07173010      -0.07173010 1.0 
      0.50000000       0.07970011      -0.07970011 1.0 
      0.50000000       0.08767012      -0.08767012 1.0 
      0.50000000       0.09564014      -0.09564014 1.0 
      0.50000000       0.10361015      -0.10361015 1.0 
      0.50000000       0.11158016      -0.11158016 1.0 
      0.50000000       0.11955017      -0.11955017 1.0 
      0.50000000       0.12752018      -0.12752018 1.0 
      0.50000000       0.13549019      -0.13549019 1.0 
      0.50000000       0.14346020      -0.14346020 1.0 
      0.50000000       0.15143021      -0.15143021 1.0 
      0.50000000       0.15940023      -0.15940023 1.0 
      0.50000000       0.16737024      -0.16737024 1.0 
      0.50000000       0.17534025      -0.17534025 1.0 
      0.50000000       0.18331026      -0.18331026 1.0 
      0.50000000       0.19128027      -0.19128027 1.0 
      0.50000000       0.19925028      -0.19925028 1.0 
      0.50000000       0.20722029      -0.20722029 1.0 
      0.50000000       0.21519030      -0.21519030 1.0 
      0.50000000       0.22316032      -0.22316032 1.0 
      0.50000000       0.23113033      -0.23113033 1.0 
      0.50000000       0.23910034      -0.23910034 1.0 
      0.76089966       0.50000000       0.23910034 1.0 
      0.75274655       0.50000000       0.24725345 1.0 
      0.74459343       0.50000000       0.25540657 1.0 
      0.73644032       0.50000000       0.26355968 1.0 
      0.72828720       0.50000000       0.27171280 1.0 
      0.72013409       0.50000000       0.27986591 1.0 
      0.71198097       0.50000000       0.28801903 1.0 
      0.70382786       0.50000000       0.29617214 1.0 
      0.69567475       0.50000000       0.30432525 1.0 
      0.68752163       0.50000000       0.31247837 1.0 
      0.67936852       0.50000000       0.32063148 1.0 
      0.67121540       0.50000000       0.32878460 1.0 
      0.66306229       0.50000000       0.33693771 1.0 
      0.65490917       0.50000000       0.34509083 1.0 
      0.64675606       0.50000000       0.35324394 1.0 
      0.63860295       0.50000000       0.36139705 1.0 
      0.63044983       0.50000000       0.36955017 1.0 
      0.62229672       0.50000000       0.37770328 1.0 
      0.61414360       0.50000000       0.38585640 1.0 
      0.60599049       0.50000000       0.39400951 1.0 
      0.59783737       0.50000000       0.40216263 1.0 
      0.58968426       0.50000000       0.41031574 1.0 
      0.58153114       0.50000000       0.41846886 1.0 
      0.57337803       0.50000000       0.42662197 1.0 
      0.56522492       0.50000000       0.43477508 1.0 
      0.55707180       0.50000000       0.44292820 1.0 
      0.54891869       0.50000000       0.45108131 1.0 
      0.54076557       0.50000000       0.45923443 1.0 
      0.53261246       0.50000000       0.46738754 1.0 
      0.52445934       0.50000000       0.47554066 1.0 
      0.51630623       0.50000000       0.48369377 1.0 
      0.50815311       0.50000000       0.49184689 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00803370       0.00000000      -0.00803370 1.0 
      0.01606740       0.00000000      -0.01606740 1.0 
      0.02410110      -0.00000000      -0.02410110 1.0 
      0.03213480       0.00000000      -0.03213480 1.0 
      0.04016850       0.00000000      -0.04016850 1.0 
      0.04820220      -0.00000000      -0.04820220 1.0 
      0.05623590       0.00000000      -0.05623590 1.0 
      0.06426959       0.00000000      -0.06426959 1.0 
      0.07230329       0.00000000      -0.07230329 1.0 
      0.08033699       0.00000000      -0.08033699 1.0 
      0.08837069       0.00000000      -0.08837069 1.0 
      0.09640439      -0.00000000      -0.09640439 1.0 
      0.10443809       0.00000000      -0.10443809 1.0 
      0.11247179       0.00000000      -0.11247179 1.0 
      0.12050549      -0.00000000      -0.12050549 1.0 
      0.12853919       0.00000000      -0.12853919 1.0 
      0.13657289       0.00000000      -0.13657289 1.0 
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      0.15264029       0.00000000      -0.15264029 1.0 
      0.16067399       0.00000000      -0.16067399 1.0 
      0.16870769      -0.00000000      -0.16870769 1.0 
      0.17674139       0.00000000      -0.17674139 1.0 
      0.18477508       0.00000000      -0.18477508 1.0 
      0.19280878      -0.00000000      -0.19280878 1.0 
      0.20084248       0.00000000      -0.20084248 1.0 
      0.20887618       0.00000000      -0.20887618 1.0 
      0.21690988       0.00000000      -0.21690988 1.0 
      0.22494358       0.00000000      -0.22494358 1.0 
      0.23297728      -0.00000000      -0.23297728 1.0 
      0.24101098      -0.00000000      -0.24101098 1.0 
      0.24904468       0.00000000      -0.24904468 1.0 
      0.25707838       0.00000000      -0.25707838 1.0 
      0.26511208       0.00000000      -0.26511208 1.0 
      0.27314578       0.00000000      -0.27314578 1.0 
      0.28117948      -0.00000000      -0.28117948 1.0 
      0.28921318       0.00000000      -0.28921318 1.0 
      0.29724688       0.00000000      -0.29724688 1.0 
      0.30528057       0.00000000      -0.30528057 1.0 
      0.31331427       0.00000000      -0.31331427 1.0 
      0.32134797       0.00000000      -0.32134797 1.0 
      0.32938167      -0.00000000      -0.32938167 1.0 
      0.33741537      -0.00000000      -0.33741537 1.0 
      0.34544907       0.00000000      -0.34544907 1.0 
      0.35348277       0.00000000      -0.35348277 1.0 
      0.36151647       0.00000000      -0.36151647 1.0 
      0.36955017       0.00000000      -0.36955017 1.0 
      0.63044983       0.36955017      -0.00000000 1.0 
      0.62229672       0.37770328      -0.00000000 1.0 
      0.61414360       0.38585640      -0.00000000 1.0 
      0.60599049       0.39400951      -0.00000000 1.0 
      0.59783737       0.40216263      -0.00000000 1.0 
      0.58968426       0.41031574      -0.00000000 1.0 
      0.58153114       0.41846886      -0.00000000 1.0 
      0.57337803       0.42662197      -0.00000000 1.0 
      0.56522492       0.43477508       0.00000000 1.0 
      0.55707180       0.44292820       0.00000000 1.0 
      0.54891869       0.45108131       0.00000000 1.0 
      0.54076557       0.45923443       0.00000000 1.0 
      0.53261246       0.46738754       0.00000000 1.0 
      0.52445934       0.47554066       0.00000000 1.0 
      0.51630623       0.48369377       0.00000000 1.0 
      0.50815311       0.49184689       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50931785       0.50931785       0.01707860 1.0 
      0.51863569       0.51863569       0.03415719 1.0 
      0.52795354       0.52795354       0.05123579 1.0 
      0.53727138       0.53727138       0.06831438 1.0 
      0.54658923       0.54658923       0.08539298 1.0 
      0.55590707       0.55590707       0.10247157 1.0 
      0.56522492       0.56522492       0.11955017 1.0 
      0.57454276       0.57454276       0.13662876 1.0 
      0.58386061       0.58386061       0.15370736 1.0 
      0.59317845       0.59317845       0.17078596 1.0 
      0.60249630       0.60249630       0.18786455 1.0 
      0.61181414       0.61181414       0.20494315 1.0 
      0.62113199       0.62113199       0.22202174 1.0 
      0.63044983       0.63044983       0.23910034 1.0 
      0.63044983       0.63044983       0.23910034 1.0 
      0.62579091       0.62579091       0.24841818 1.0 
      0.62113199       0.62113199       0.25773603 1.0 
      0.61647306       0.61647306       0.26705387 1.0 
      0.61181414       0.61181414       0.27637172 1.0 
      0.60715522       0.60715522       0.28568956 1.0 
      0.60249630       0.60249630       0.29500741 1.0 
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      0.57920168       0.57920168       0.34159663 1.0 
      0.57454276       0.57454276       0.35091448 1.0 
      0.56988384       0.56988384       0.36023232 1.0 
      0.56522492       0.56522492       0.36955017 1.0 
      0.56056599       0.56056599       0.37886801 1.0 
      0.55590707       0.55590707       0.38818586 1.0 
      0.55124815       0.55124815       0.39750370 1.0 
      0.54658923       0.54658923       0.40682155 1.0 
      0.54193030       0.54193030       0.41613939 1.0 
      0.53727138       0.53727138       0.42545724 1.0 
      0.53261246       0.53261246       0.43477508 1.0 
      0.52795354       0.52795354       0.44409293 1.0 
      0.52329461       0.52329461       0.45341077 1.0 
      0.51863569       0.51863569       0.46272862 1.0 
      0.51397677       0.51397677       0.47204646 1.0 
      0.50931785       0.50931785       0.48136431 1.0 
      0.50465892       0.50465892       0.49068215 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.51043599       0.01478201       0.01478201 1.0 
      0.52087197       0.02956401       0.02956401 1.0 
      0.53130796       0.04434602       0.04434602 1.0 
      0.54174395       0.05912803       0.05912803 1.0 
      0.55217993       0.07391003       0.07391003 1.0 
      0.56261592       0.08869204       0.08869204 1.0 
      0.57305191       0.10347405       0.10347405 1.0 
      0.58348789       0.11825605       0.11825605 1.0 
      0.59392388       0.13303806       0.13303806 1.0 
      0.60435986       0.14782007       0.14782007 1.0 
      0.61479585       0.16260207       0.16260207 1.0 
      0.62523184       0.17738408       0.17738408 1.0 
      0.63566782       0.19216609       0.19216609 1.0 
      0.64610381       0.20694809       0.20694809 1.0 
      0.65653980       0.22173010       0.22173010 1.0 
      0.66697578       0.23651211       0.23651211 1.0 
      0.67741177       0.25129412       0.25129412 1.0 
      0.68784776       0.26607612       0.26607612 1.0 
      0.69828374       0.28085813       0.28085813 1.0 
      0.70871973       0.29564014       0.29564014 1.0 
      0.71915572       0.31042214       0.31042214 1.0 
      0.72959170       0.32520415       0.32520415 1.0 
      0.74002769       0.33998616       0.33998616 1.0 
      0.75046367       0.35476816       0.35476816 1.0 
      0.76089966       0.36955017       0.36955017 1.0 

